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3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_87293

A 3beta-sterol that is 5alpha-cholest-8-en-3beta-ol carrying an additional carboxy substituent at position 4alpha.

Term info

Label

3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylic acid

Synonyms
  • (3beta,4alpha,5alpha)-3-hydroxycholest-8-ene-4-carboxylic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(3beta,4alpha,5alpha)-3-hydroxycholest-8-ene-4-carboxylic acid [ IUPAC ]

charge

0

formula

C28H46O3

has obo namespace

chebi_ontology

has related synonym

4alpha-carboxy-5alpha-cholest-8-en-3beta-ol

id

CHEBI:87293

inchi

InChI=1S/C28H46O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h17-18,20-21,23-25,29H,6-16H2,1-5H3,(H,30,31)/t18-,20-,21+,23+,24+,25+,27-,28-/m1/s1

inchikey

RODBXVVNKJCWQR-GSQAGGHASA-N

mass

430.66300

monoisotopicmass

430.34470

smiles

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@H]([C@@H]1CC3)C(O)=O